(2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

C9H14FNO — CID 163686023

IUPAC(2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESC=C1CN2CC(F)CC2(CO)C1
InChIInChI=1S/C9H14FNO/c1-7-2-9(6-12)3-8(10)5-11(9)4-7/h8,12H,1-6H2
InChIKeyZCIMMTFIXZGRTK-UHFFFAOYSA-N
MW171.21 g/mol
LogP0.72
Rot. Bonds1

About (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

(2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (PubChem CID 163686023) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
PubChem CID163686023
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESC=C1CN2CC(F)CC2(CO)C1
InChIInChI=1S/C9H14FNO/c1-7-2-9(6-12)3-8(10)5-11(9)4-7/h8,12H,1-6H2
InChIKeyZCIMMTFIXZGRTK-UHFFFAOYSA-N
XLogP0.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The IUPAC name of (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (CID 163686023) is (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.
What is the SMILES notation for (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The canonical SMILES for (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is C=C1CN2CC(F)CC2(CO)C1.
What is the InChIKey of (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The InChIKey is ZCIMMTFIXZGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-7-2-9(6-12)3-8(10)5-11(9)4-7/h8,12H,1-6H2.
What are the key properties of (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
(2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol has a molecular weight of 171.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is sourced from PubChem (CID 163686023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).